(2R)-2-[(3R)-3-[2-[(2R)-2-carboxy-2-hydroxyethyl]-4,5-dihydroxyphenyl]-3-(3,4-dihydroxyphenyl)propanoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
| Internal ID | 34b1a900-ae95-45bd-9a89-328b8cfb7d8c |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | (2R)-2-[(3R)-3-[2-[(2R)-2-carboxy-2-hydroxyethyl]-4,5-dihydroxyphenyl]-3-(3,4-dihydroxyphenyl)propanoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1CC(C(=O)O)OC(=O)CC(C2=CC(=C(C=C2)O)O)C3=CC(=C(C=C3CC(C(=O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)C[C@H](C2=CC(=C(C=C2)O)O)C3=CC(=C(C=C3C[C@H](C(=O)O)O)O)O)O)O |
| InChI | InChI=1S/C27H26O13/c28-17-3-1-12(5-19(17)30)6-24(27(38)39)40-25(35)11-16(13-2-4-18(29)20(31)7-13)15-10-22(33)21(32)8-14(15)9-23(34)26(36)37/h1-5,7-8,10,16,23-24,28-34H,6,9,11H2,(H,36,37)(H,38,39)/t16-,23-,24-/m1/s1 |
| InChI Key | XDOPOYUXTRRBDZ-GRFCFPJTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H26O13 |
| Molecular Weight | 558.50 g/mol |
| Exact Mass | 558.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 243.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(3R)-3-[2-[(2R)-2-carboxy-2-hydroxyethyl]-4,5-dihydroxyphenyl]-3-(3,4-dihydroxyphenyl)propanoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/ed38d670-8807-11ee-b6d3-95a887daa128.jpg "2D Structure of (2R)-2-[(3R)-3-[2-[(2R)-2-carboxy-2-hydroxyethyl]-4,5-dihydroxyphenyl]-3-(3,4-dihydroxyphenyl)propanoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.70% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.58% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.32% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.71% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.42% | 99.15% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.13% | 94.62% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.25% | 95.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.98% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.82% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.80% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.76% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.09% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.75% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.97% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.36% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Meehania urticifolia |
| PubChem | 50992545 |
| LOTUS | LTS0201083 |
| wikiData | Q105325965 |